ergo
compute_grid_for_box_params_struct Struct Reference

Public Member Functions

 compute_grid_for_box_params_struct (const BasisInfoStruct &bis_)
 

Public Attributes

const BasisInfoStructbis
 
DensitySpecStruct density
 
int noOfNonzeroBasisFuncs
 
int * nonZeroBasisFuncIndexList
 
int noOfNonzeroShells
 
int * nonZeroShellsIndexList
 
std::vector< reallocalFullDensityMatrix
 
GridGenerationParamsStruct gridGenerationParams
 
int nShlblocks
 
int(* listShlblocks_otherformat )[2]
 
DftIntegratorBldftIntegrator
 
realdmagao
 

Constructor & Destructor Documentation

◆ compute_grid_for_box_params_struct()

compute_grid_for_box_params_struct::compute_grid_for_box_params_struct ( const BasisInfoStruct bis_)
inlineexplicit

Member Data Documentation

◆ bis

const BasisInfoStruct& compute_grid_for_box_params_struct::bis

Referenced by compute_grid_for_box().

◆ density

DensitySpecStruct compute_grid_for_box_params_struct::density

◆ dftIntegrator

DftIntegratorBl* compute_grid_for_box_params_struct::dftIntegrator

◆ dmagao

real* compute_grid_for_box_params_struct::dmagao

◆ gridGenerationParams

GridGenerationParamsStruct compute_grid_for_box_params_struct::gridGenerationParams

◆ listShlblocks_otherformat

int(* compute_grid_for_box_params_struct::listShlblocks_otherformat)[2]

◆ localFullDensityMatrix

std::vector<real> compute_grid_for_box_params_struct::localFullDensityMatrix

◆ nonZeroBasisFuncIndexList

int* compute_grid_for_box_params_struct::nonZeroBasisFuncIndexList

◆ nonZeroShellsIndexList

int* compute_grid_for_box_params_struct::nonZeroShellsIndexList

◆ noOfNonzeroBasisFuncs

int compute_grid_for_box_params_struct::noOfNonzeroBasisFuncs

◆ noOfNonzeroShells

int compute_grid_for_box_params_struct::noOfNonzeroShells

◆ nShlblocks

int compute_grid_for_box_params_struct::nShlblocks

The documentation for this struct was generated from the following file: